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Author Verberck, B.; Vliegenthart, G.A.; Gompper, G. doi  openurl
  Title Orientational ordering in solid C60 fullerene-cubane Type A1 Journal article
  Year (down) 2009 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 130 Issue 15 Pages 154510,1-154510,14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000265486300036 Publication Date 2009-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited 8 Open Access  
  Notes Approved Most recent IF: 2.965; 2009 IF: 3.093  
  Call Number UA @ lucian @ c:irua:77258 Serial 2519  
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